scholarly journals Influence of point defects on the near edge structure of hexagonal boron nitride

2017 ◽  
Vol 96 (14) ◽  
Author(s):  
Nicholas L. McDougall ◽  
Jim G. Partridge ◽  
Rebecca J. Nicholls ◽  
Salvy P. Russo ◽  
Dougal G. McCulloch
Keyword(s):  
Boron Nitride ◽  
Point Defects ◽  
Hexagonal Boron Nitride ◽  
Edge Structure

scholarly journals Native point defects and impurities in hexagonal boron nitride

2018 ◽  
Vol 97 (21) ◽  
Author(s):  
L. Weston ◽  
D. Wickramaratne ◽  
M. Mackoit ◽  
A. Alkauskas ◽  
C. G. Van de Walle
Keyword(s):  
Boron Nitride ◽  
Point Defects ◽  
Hexagonal Boron Nitride ◽  
Native Point Defects ◽  
Defects And Impurities

Point defects in hexagonal boron nitride. III. EPR in electron-irradiated BN

1976 ◽  
Vol 13 (7) ◽  
pp. 2831-2834 ◽  
Author(s):  
E. Y. Andrei ◽  
A. Katzir ◽  
J. T. Suss
Keyword(s):  
Boron Nitride ◽  
Point Defects ◽  
Hexagonal Boron Nitride

The Near Edge Structure of Hexagonal Boron Nitride

2014 ◽  
Vol 20 (4) ◽  
pp. 1053-1059 ◽  
Author(s):  
Nicholas L. McDougall ◽  
Rebecca J. Nicholls ◽  
Jim G. Partridge ◽  
Dougal G. McCulloch
Keyword(s):  
Boron Nitride ◽  
Density Functional ◽  
Light Emission ◽  
Hexagonal Boron Nitride ◽  
Core Loss ◽  
Experimental Studies ◽  
Stacking Faults ◽  
Edge Structure ◽  
Deep Ultraviolet ◽  
Electron Energy Loss

AbstractHexagonal boron nitride (hBN) is a promising material for a range of applications including deep-ultraviolet light emission. Despite extensive experimental studies, some fundamental aspects of hBN remain unknown, such as the type of stacking faults likely to be present and their influence on electronic properties. In this paper, different stacking configurations of hBN are investigated using CASTEP, a pseudopotential density functional theory code. AB-b stacking faults, in which B atoms are positioned directly on top of one another while N atoms are located above the center of BN hexagons, are shown to be likely in conventional AB stacked hBN. Bandstructure calculations predict a single direct bandgap structure that may be responsible for the discrepancies in bandgap type observed experimentally. Calculations of the near edge structure showed that different stackings of hBN are distinguishable using measurements of core-loss edges in X-ray absorption and electron energy loss spectroscopy. AB stacking was found to best reproduce features in the experimental B and N K-edges. The calculations also show that splitting of the 1s to π* peak in the B K-edge, recently observed experimentally, may be accounted for by the presence of AB-b stacking faults.

scholarly journals Probing the Out-of-Plane Distortion of Single Point Defects in Atomically Thin Hexagonal Boron Nitride at the Picometer Scale

2011 ◽  
Vol 106 (12) ◽  
Author(s):  
Nasim Alem ◽  
Oleg V. Yazyev ◽  
Christian Kisielowski ◽  
P. Denes ◽  
Ulrich Dahmen ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Point Defects ◽  
Hexagonal Boron Nitride ◽  
Single Point ◽  
Out Of Plane

Polarisation effects in hexagonal boron nitride near-edge structure: A real-space multiple scattering approach

2000 ◽  
Vol 49 (3) ◽  
pp. 343-349 ◽  
Author(s):  
M Jaouen ◽  
G Hug ◽  
B Ravel ◽  
A. L Ankudinov ◽  
J. J Rehr
Keyword(s):  
Boron Nitride ◽  
Multiple Scattering ◽  
Hexagonal Boron Nitride ◽  
Real Space ◽  
Edge Structure
Sign in / Sign up

Export Citation Format

Share Document